Structure Database (LMSD)

Common Name
8-C-p-Hydroxybenzylkaempferol
Systematic Name
Synonyms
LM ID
LMPK12111976
Formula
C22H16O7
Exact Mass
Calculate m/z
392.089605
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
BFFYUNVGUBDLOC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H16O7/c23-13-5-1-11(2-6-13)9-15-16(25)10-17(26)18-19(27)20(28)21(29-22(15)18)12-3-7-14(24)8-4-12/h1-8,10,23-26,28H,9H2
SMILES (Click to copy)
C1(O)=C(CC2C=CC(O)=CC=2)C2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FAANC0001
PubChem CID
44259046

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 4
Rotatable Bonds 3
Van der Waals Molecular Volume 328.61
Topological Polar Surface Area 131.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 4.48
Molar Refractivity 105.60

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Updated at
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